6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine

C16H31N3 — CID 106800316

IUPAC6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCn1nc(C)c(CC)c1C
InChIInChI=1S/C16H31N3/c1-6-11-17-15(7-2)10-9-12-19-14(5)16(8-3)13(4)18-19/h15,17H,6-12H2,1-5H3
InChIKeyLUGVVIZRFKMFKX-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.62
Rot. Bonds9

About 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine

6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine (PubChem CID 106800316) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
PubChem CID106800316
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCn1nc(C)c(CC)c1C
InChIInChI=1S/C16H31N3/c1-6-11-17-15(7-2)10-9-12-19-14(5)16(8-3)13(4)18-19/h15,17H,6-12H2,1-5H3
InChIKeyLUGVVIZRFKMFKX-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
CID 62567200
6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800552
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
6-(2-methylimidazol-1-yl)-N-propylhexan-3-amine
CID 106800208
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 64811343
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
2-[4-(propylamino)hexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800379
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]prop-2-yn-1-amine
CID 62566814

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine?
The IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine (CID 106800316) is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine?
The canonical SMILES for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine is CCCNC(CC)CCCn1nc(C)c(CC)c1C.
What is the InChIKey of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine?
The InChIKey is LUGVVIZRFKMFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-11-17-15(7-2)10-9-12-19-14(5)16(8-3)13(4)18-19/h15,17H,6-12H2,1-5H3.
What are the key properties of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine?
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 106800316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).